Assay Detail
Binding
CHEMBL829152
Review assay metadata, readout intent, target linkage, and publication context from the same page.
Inhibitory concentration against potassium channel HERG
73
Total Activities
73
Compounds Tested
1
Activity Types
0
Assay Parameters
Assay Information
| Assay Type | Binding |
| Confidence | 8 — Homologous single protein target |
| Curated By | Expert |
Target
Voltage-gated inwardly rectifying potassium channel KCNH2 (CHEMBL240) ↗| Type | SINGLE PROTEIN |
| Organism | Homo sapiens |
Publication
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.
Activity Statistics
| Type | Count | Avg pChEMBL | Best pChEMBL |
|---|---|---|---|
| IC50 | 73 | 5.96 | 8.00 |
Compounds Tested
| Compound | Name | Phase | Activities | Best pChEMBL |
|---|---|---|---|---|
| CHEMBL296419 | ASTEMIZOLE | 4.0 | 1 | 8.00 |
| CHEMBL533 | IBUTILIDE | 4.0 | 1 | 8.00 |
| CHEMBL12713 | SERTINDOLE | 4.0 | 1 | 8.00 |
| CHEMBL473 | DOFETILIDE | 4.0 | 1 | 8.00 |
| CHEMBL92870 | LIDOFLAZINE | 2.0 | 1 | 7.80 |
| CHEMBL1382 | TOLTERODINE | 4.0 | 1 | 7.77 |
| CHEMBL327980 | — | — | 1 | 7.70 |
| CHEMBL54 | HALOPERIDOL | 4.0 | 1 | 7.52 |
| CHEMBL1108 | DROPERIDOL | 4.0 | 1 | 7.49 |
| CHEMBL1729 | CISAPRIDE | 4.0 | 1 | 7.40 |
| CHEMBL1423 | PIMOZIDE | 4.0 | 1 | 7.30 |
| CHEMBL708 | ZIPRASIDONE | 4.0 | 1 | 6.92 |
| CHEMBL6966 | VERAPAMIL | 4.0 | 1 | 6.85 |
| CHEMBL364512 | RISPERIDON | — | 1 | 6.82 |
| CHEMBL219916 | DOMPERIDONE | 3.0 | 1 | 6.79 |
| CHEMBL998 | LORATADINE | 4.0 | 1 | 6.77 |
| CHEMBL715 | OLANZAPINE | 4.0 | 1 | 6.74 |
| CHEMBL479 | THIORIDAZINE | 4.0 | 1 | 6.72 |
| CHEMBL17157 | TERFENADINE | 4.0 | 1 | 6.70 |
| CHEMBL1107 | HALOFANTRINE | 4.0 | 1 | 6.70 |
| CHEMBL96153 | TERIKALANT | 2.0 | 1 | 6.60 |
| CHEMBL1294 | QUINIDINE | 4.0 | 1 | 6.49 |
| CHEMBL607 | MEPERIDINE | 4.0 | 1 | 6.49 |
| CHEMBL42 | CLOZAPINE | 4.0 | 1 | 6.49 |
| CHEMBL94454 | MIZOLASTINE | 4.0 | 1 | 6.36 |
| CHEMBL1088 | MESORIDAZINE | 4.0 | 1 | 6.26 |
| CHEMBL1008 | BEPRIDIL | 4.0 | 1 | 6.26 |
| CHEMBL46 | ONDANSETRON | 4.0 | 1 | 6.09 |
| CHEMBL72 | DESIPRAMINE | 4.0 | 1 | 5.86 |
| CHEMBL123558 | AZIMILIDE | 3.0 | 1 | 5.85 |
Activity Data
| Compound | Name | Type | Rel. | Value | Units | pChEMBL |
|---|---|---|---|---|---|---|
| CHEMBL296419 | ASTEMIZOLE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL473 | DOFETILIDE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL12713 | SERTINDOLE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL533 | IBUTILIDE | IC50 | = | 10.0 | nM | 8.00 |
| CHEMBL92870 | LIDOFLAZINE | IC50 | = | 15.85 | nM | 7.80 |
| CHEMBL1382 | TOLTERODINE | IC50 | = | 16.98 | nM | 7.77 |
| CHEMBL327980 | — | IC50 | = | 19.95 | nM | 7.70 |
| CHEMBL54 | HALOPERIDOL | IC50 | = | 30.2 | nM | 7.52 |
| CHEMBL1108 | DROPERIDOL | IC50 | = | 32.36 | nM | 7.49 |
| CHEMBL1729 | CISAPRIDE | IC50 | = | 39.81 | nM | 7.40 |
| CHEMBL1423 | PIMOZIDE | IC50 | = | 50.12 | nM | 7.30 |
| CHEMBL708 | ZIPRASIDONE | IC50 | = | 120.23 | nM | 6.92 |
| CHEMBL6966 | VERAPAMIL | IC50 | = | 141.25 | nM | 6.85 |
| CHEMBL364512 | RISPERIDON | IC50 | = | 151.36 | nM | 6.82 |
| CHEMBL219916 | DOMPERIDONE | IC50 | = | 162.18 | nM | 6.79 |
| CHEMBL998 | LORATADINE | IC50 | = | 169.82 | nM | 6.77 |
| CHEMBL715 | OLANZAPINE | IC50 | = | 181.97 | nM | 6.74 |
| CHEMBL479 | THIORIDAZINE | IC50 | = | 190.55 | nM | 6.72 |
| CHEMBL17157 | TERFENADINE | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL1107 | HALOFANTRINE | IC50 | = | 199.53 | nM | 6.70 |
| CHEMBL96153 | TERIKALANT | IC50 | = | 251.19 | nM | 6.60 |
| CHEMBL1294 | QUINIDINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL607 | MEPERIDINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL42 | CLOZAPINE | IC50 | = | 323.59 | nM | 6.49 |
| CHEMBL94454 | MIZOLASTINE | IC50 | = | 436.52 | nM | 6.36 |
| CHEMBL1088 | MESORIDAZINE | IC50 | = | 549.54 | nM | 6.26 |
| CHEMBL1008 | BEPRIDIL | IC50 | = | 549.54 | nM | 6.26 |
| CHEMBL46 | ONDANSETRON | IC50 | = | 812.83 | nM | 6.09 |
| CHEMBL72 | DESIPRAMINE | IC50 | = | 1380.38 | nM | 5.86 |
| CHEMBL123558 | AZIMILIDE | IC50 | = | 1412.54 | nM | 5.85 |
| CHEMBL45816 | MIBEFRADIL | IC50 | = | 1445.44 | nM | 5.84 |
| CHEMBL71 | CHLORPROMAZINE | IC50 | = | 1479.11 | nM | 5.83 |
| CHEMBL41 | FLUOXETINE | IC50 | = | 1513.56 | nM | 5.82 |
| CHEMBL2 | PRAZOSIN | IC50 | = | 1584.89 | nM | 5.80 |
| CHEMBL596 | FENTANYL | IC50 | = | 1819.7 | nM | 5.74 |
| CHEMBL157101 | KETOCONAZOLE | IC50 | = | 1905.46 | nM | 5.72 |
| CHEMBL1514 | LEVOMETHADYL ACETATE | IC50 | = | 2187.76 | nM | 5.66 |
| CHEMBL305660 | EBASTINE | IC50 | = | 3019.95 | nM | 5.52 |
| CHEMBL1110 | ALOSETRON | IC50 | = | 3235.94 | nM | 5.49 |
| CHEMBL192 | SILDENAFIL | IC50 | = | 3311.31 | nM | 5.48 |
| CHEMBL11 | IMIPRAMINE | IC50 | = | 3388.44 | nM | 5.47 |
| CHEMBL289469 | GRANISETRON | IC50 | = | 3715.35 | nM | 5.43 |
| CHEMBL652 | FLECAINIDE | IC50 | = | 3890.45 | nM | 5.41 |
| CHEMBL549 | CITALOPRAM | IC50 | = | 3981.07 | nM | 5.40 |
| CHEMBL416956 | MEFLOQUINE | IC50 | = | 5623.41 | nM | 5.25 |
| CHEMBL370805 | COCAINE | IC50 | = | 7244.36 | nM | 5.14 |
| CHEMBL511142 | BUPRENORPHINE | IC50 | = | 7585.78 | nM | 5.12 |
| CHEMBL651 | METHADONE | IC50 | = | 9772.37 | nM | 5.01 |
| CHEMBL475534 | NITRENDIPINE | IC50 | = | 10000.0 | nM | 5.00 |
| CHEMBL633 | AMIODARONE | IC50 | = | 10000.0 | nM | 5.00 |